Diphosphane-Mediated Control of the Emissive Properties in [Cu(NHC)(P^P)] <sup>+</sup> Complexes: TADF vs Phosphorescence
The influence of both the skeleton and substituents of the diphosphane in the photophysical properties of [Cu(NHC)(P^P)]PF<sub>6</sub> TADF-phosphorescent emitters is investigated [NHC = Bz-Im-2-XPy (X = H, Cl)]. The study reveals that optimization of the diphosphane structure can boost quantum yields to as high as 85% using carbenes with simple structural frameworks or substituent wings. Remarkably, the diphosphane skeleton emerges as the most influential factor for controlling the quantum yield (Φ). None of the ΔE(S<sub>1</sub>-T<sub>1</sub>) energy gap, steric factors (buried volume percentage), or T<sub>1</sub> energy alone seem to govern the observed Φ. These insights reveal new avenues for achieving high-performance TADF emitters through ligand engineering.
Authors
- Olga Crespo (ORCID: https://orcid.org/0000-0001-9522-5840)
- Richard Jimenez
- M. Concepción Gimeno (ORCID: https://orcid.org/0000-0003-0553-0695)
Institutions
- Instituto de Síntesis Química y Catálisis Homogénea (ES)
Publication Details
- Journal
- Inorganic Chemistry
- Published
- 2025-10-22
- DOI
- https://doi.org/10.1021/acs.inorgchem.5c03511
- Primary Topic
- Organic Light-Emitting Diodes Research
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- European Commission
- Universidad de Zaragoza
- Agencia Estatal de Investigación